2-(4-Formylphenoxy)acetamide

Details

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Internal ID 0f9199ed-fa7c-4940-8d69-022399e58648
Taxonomy Benzenoids > Phenol ethers
IUPAC Name 2-(4-formylphenoxy)acetamide
SMILES (Canonical) C1=CC(=CC=C1C=O)OCC(=O)N
SMILES (Isomeric) C1=CC(=CC=C1C=O)OCC(=O)N
InChI InChI=1S/C9H9NO3/c10-9(12)6-13-8-3-1-7(5-11)2-4-8/h1-5H,6H2,(H2,10,12)
InChI Key FLPJVCMIKUWSDR-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C9H9NO3
Molecular Weight 179.17 g/mol
Exact Mass 179.058243149 g/mol
Topological Polar Surface Area (TPSA) 69.40 Ų
XlogP 0.10

Synonyms

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135857-20-4
2-(4-Formyl-phenoxy)-acetamide
Acetamide, 2-(4-formylphenoxy)-
CETYLPALMITATE
Oprea1_602212
SCHEMBL246234
2-(4-formylphenoxyl)acetamide
DTXSID20345061
MFCD01050440
AKOS000202106
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 2-(4-Formylphenoxy)acetamide

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.28% 96.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.81% 95.56%
CHEMBL4208 P20618 Proteasome component C5 92.17% 90.00%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 91.01% 91.11%
CHEMBL3060 Q9Y345 Glycine transporter 2 90.71% 99.17%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 89.23% 96.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.85% 86.33%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 87.52% 94.45%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 86.99% 89.34%
CHEMBL1929 P47989 Xanthine dehydrogenase 85.87% 96.12%
CHEMBL3437 Q16853 Amine oxidase, copper containing 85.57% 94.00%
CHEMBL1868 P17948 Vascular endothelial growth factor receptor 1 81.67% 96.47%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Siraitia grosvenorii

Cross-Links

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PubChem 601630
LOTUS LTS0269895
wikiData Q82117296